P   LATTICE,NONEQUIV.ATOMS   7   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.219400 16.820452 12.534553 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09990000 Y=0.36670000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.90010000 Y=0.63330000 Z=0.50000000
      -1: X=0.40010000 Y=0.86670000 Z=0.50000000
      -1: X=0.59990000 Y=0.13330000 Z=0.00000000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.36690000 Y=0.38880000 Z=0.46930000
          MULT= 4          ISPLIT= 8
      -2: X=0.63310000 Y=0.61120000 Z=0.96930000
      -2: X=0.13310000 Y=0.88880000 Z=0.96930000
      -2: X=0.86690000 Y=0.11120000 Z=0.46930000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.16000000 Y=0.12470000 Z=0.51980000
          MULT= 4          ISPLIT= 8
      -3: X=0.84000000 Y=0.87530000 Z=0.01980000
      -3: X=0.34000000 Y=0.62470000 Z=0.01980000
      -3: X=0.66000000 Y=0.37530000 Z=0.51980000
P          NPT=  781  R0=.000100000 RMT= 1.84        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.04630000 Y=0.30220000 Z=0.50760000
          MULT= 4          ISPLIT= 8
      -4: X=0.95370000 Y=0.69780000 Z=0.00760000
      -4: X=0.45370000 Y=0.80220000 Z=0.00760000
      -4: X=0.54630000 Y=0.19780000 Z=0.50760000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.26100000 Y=0.13080000 Z=0.26620000
          MULT= 4          ISPLIT= 8
      -5: X=0.73900000 Y=0.86920000 Z=0.76620000
      -5: X=0.23900000 Y=0.63080000 Z=0.76620000
      -5: X=0.76100000 Y=0.36920000 Z=0.26620000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.42880000 Y=0.42570000 Z=0.04300000
          MULT= 4          ISPLIT= 8
      -6: X=0.57120000 Y=0.57430000 Z=0.54300000
      -6: X=0.07120000 Y=0.92570000 Z=0.54300000
      -6: X=0.92880000 Y=0.07430000 Z=0.04300000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.23930000 Y=0.65040000 Z=0.26270000
          MULT= 4          ISPLIT= 8
      -7: X=0.76070000 Y=0.34960000 Z=0.76270000
      -7: X=0.26070000 Y=0.15040000 Z=0.76270000
      -7: X=0.73930000 Y=0.84960000 Z=0.26270000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000